AN AB INITIO QUANTUM-MECHANICAL INVESTIGATION ON THE ROTATIONAL ISOMERISM IN AMIDES AND ESTERS
β Scribed by Perricaudet, M. ;Pullman, A.
- Book ID
- 115097046
- Publisher
- Wiley (Blackwell Publishing)
- Year
- 2009
- Tongue
- English
- Weight
- 634 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0367-8377
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π SIMILAR VOLUMES
## Abstract Nanotubes can be characterized by a very high point symmetry, comparable or even larger than the one of the most symmetric crystalline systems (cubic, 48 point symmetry operators). For example, __N__ = 2__n__ rototranslation symmetry operators connect the atoms of the (__n__,0) nanotube
The chemical shift anisotropy and the isotropic magnetic shielding constant of the hydrogen nuclei in the (H,O),. (H20)3, (H,O), and H,O systems have been calculated using ab initio quantum-mechanical techniques. The results show that secondary hydrogen bonding has a significant effect on these two